Molecule card · MolClass #51738
14728897
14728897: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 14728897Mitochondrial Fusion · compound_name
- MolClass ID
- 51738
- InChIKey
- BJSONGFQRAVOPD-UHFFFAOYSA-N
- Canonical SMILES
- Cc2c(cccc2(OCc1ccccc1))OCc3ccccc3
- Standard InChI
- InChI=1S/C21H20O2/c1-17-20(22-15-18-9-4-2-5-10-18)13-8-14-21(17)23-16-19-11-6-3-7-12-19/h2-14H,15-16H2,1H3
- Stored Murcko scaffold
- O(c1cccc(OCc2ccccc2)c1)Cc3ccccc3
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 0
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 18.46 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 304.383 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.498
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 14728897